Spektraris NMR
1-Hydroxy-2-(1,1-dimethyl-2-propenyl)-3-(prenyloxy)-9H-xanthene-9-one
Common Name: 1-Hydroxy-2-(1,1-dimethyl-2-propenyl)-3-(prenyloxy)-9H-xanthene-9-one
Synonyms: 1-Hydroxy-2-(1,1-dimethyl-2-propenyl)-3-(prenyloxy)-9H-xanthene-9-one
CAS Registry Number:
InChI: InChI=1S/C23H24O4/c1-6-23(4,5)20-18(26-12-11-14(2)3)13-17-19(22(20)25)21(24)15-9-7-8-10-16(15)27-17/h6-11,13,25H,1,12H2,2-5H3
InChIKey: InChIKey=AXUGHNYWAQYRQI-UHFFFAOYSA-N
Formula: C23H24O4
Molecular Weight: 364.435123
Exact Mass: 364.167459
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Castanheiro, R.A., Pinto, M.M., Silva, A.M., Cravo, S.M., Gales, L., Damas, A.M., Nazareth, N., Nascimento, M.S., Eaton, G. Bioorg Med Chem (2007) 15, 6080-8
Species:
Notes: Family : Aromatics, Type : Xanthones; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (C) | 161.9 |
| 2 (C) | 117 |
| 3 (C) | 165.3 |
| 4 (CH) | 91.3 |
| 4a (C) | 156.1 |
| 5 (CH) | 118.8 |
| 6 (CH) | 134.6 |
| 7 (CH) | 123.8 |
| 8 (CH) | 126 |
| 8a (C) | 120.7 |
| 9 (C) | 181 |
| 9a (C) | 103.9 |
| 10a (C) | 155.6 |
| 1' (C) | 41.1 |
| 2' (CH3) | 29.7 |
| 3' (CH3) | 29 |
| 4' (CH) | 150.6 |
| 5' (CH2) | 106.8 |
| 1'' (CH2) | 65.7 |
| 2'' (CH) | 118.8 |
| 3'' (C) | 138.1 |
| 4'' (CH3) | 18.3 |
| 5'' (CH3) | 25.7 |
